[4-[[butan-2-yl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl-[(E)-2-phenylethenyl]sulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[sec-butyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[sec-butyl-[(E)-styryl]sulfonyl-amino]methyl]phenyl] ester Formula: C25H26FNO5S2 MolecularWeight: 503.606043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H26FNO5S2/c1-3-20(2)27(33(28,29)18-17-21-7-5-4-6-8-21)19-22-9-13-24(14-10-22)32-34(30,31)25-15-11-23(26)12-16-25/h4-18,20H,3,19H2,1-2H3/b18-17+